In
mathematics
Mathematics is a field of study that discovers and organizes methods, Mathematical theory, theories and theorems that are developed and Mathematical proof, proved for the needs of empirical sciences and mathematics itself. There are many ar ...
, a self-adjoint operator on a
complex vector space ''V'' with
inner product
In mathematics, an inner product space (or, rarely, a Hausdorff pre-Hilbert space) is a real vector space or a complex vector space with an operation called an inner product. The inner product of two vectors in the space is a scalar, ofte ...
is a
linear map
In mathematics, and more specifically in linear algebra, a linear map (also called a linear mapping, linear transformation, vector space homomorphism, or in some contexts linear function) is a mapping V \to W between two vector spaces that p ...
''A'' (from ''V'' to itself) that is its own
adjoint. That is,
for all
∊ ''V''. If ''V'' is
finite-dimensional with a given
orthonormal basis
In mathematics, particularly linear algebra, an orthonormal basis for an inner product space V with finite Dimension (linear algebra), dimension is a Basis (linear algebra), basis for V whose vectors are orthonormal, that is, they are all unit vec ...
, this is equivalent to the condition that the
matrix of ''A'' is a
Hermitian matrix
In mathematics, a Hermitian matrix (or self-adjoint matrix) is a complex square matrix that is equal to its own conjugate transpose—that is, the element in the -th row and -th column is equal to the complex conjugate of the element in the ...
, i.e., equal to its
conjugate transpose ''A''. By the finite-dimensional
spectral theorem
In linear algebra and functional analysis, a spectral theorem is a result about when a linear operator or matrix can be diagonalized (that is, represented as a diagonal matrix in some basis). This is extremely useful because computations involvin ...
, ''V'' has an
orthonormal basis
In mathematics, particularly linear algebra, an orthonormal basis for an inner product space V with finite Dimension (linear algebra), dimension is a Basis (linear algebra), basis for V whose vectors are orthonormal, that is, they are all unit vec ...
such that the matrix of ''A'' relative to this basis is a
diagonal matrix
In linear algebra, a diagonal matrix is a matrix in which the entries outside the main diagonal are all zero; the term usually refers to square matrices. Elements of the main diagonal can either be zero or nonzero. An example of a 2×2 diagon ...
with entries in the
real number
In mathematics, a real number is a number that can be used to measure a continuous one- dimensional quantity such as a duration or temperature. Here, ''continuous'' means that pairs of values can have arbitrarily small differences. Every re ...
s. This article deals with applying generalizations of this concept to operators on
Hilbert space
In mathematics, a Hilbert space is a real number, real or complex number, complex inner product space that is also a complete metric space with respect to the metric induced by the inner product. It generalizes the notion of Euclidean space. The ...
s of arbitrary dimension.
Self-adjoint operators are used in
functional analysis
Functional analysis is a branch of mathematical analysis, the core of which is formed by the study of vector spaces endowed with some kind of limit-related structure (for example, Inner product space#Definition, inner product, Norm (mathematics ...
and
quantum mechanics
Quantum mechanics is the fundamental physical Scientific theory, theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. Reprinted, Addison-Wesley, 1989, It is ...
. In quantum mechanics their importance lies in the
Dirac–von Neumann formulation of quantum mechanics, in which physical
observables such as
position,
momentum,
angular momentum
Angular momentum (sometimes called moment of momentum or rotational momentum) is the rotational analog of Momentum, linear momentum. It is an important physical quantity because it is a Conservation law, conserved quantity – the total ang ...
and
spin are represented by self-adjoint operators on a Hilbert space. Of particular significance is the
Hamiltonian
Hamiltonian may refer to:
* Hamiltonian mechanics, a function that represents the total energy of a system
* Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system
** Dyall Hamiltonian, a modified Hamiltonian ...
operator
defined by
:
which as an observable corresponds to the total
energy
Energy () is the physical quantity, quantitative physical property, property that is transferred to a physical body, body or to a physical system, recognizable in the performance of Work (thermodynamics), work and in the form of heat and l ...
of a particle of mass ''m'' in a real
potential field ''V''.
Differential operators are an important class of
unbounded operators.
The structure of self-adjoint operators on infinite-dimensional Hilbert spaces essentially resembles the finite-dimensional case. That is to say, operators are self-adjoint if and only if they are
unitarily equivalent to real-valued
multiplication operators. With suitable modifications, this result can be extended to possibly unbounded operators on infinite-dimensional spaces. Since an everywhere-defined self-adjoint operator is necessarily bounded, one needs to be more attentive to the domain issue in the unbounded case. This is explained below in more detail.
Definitions
Let
be a
Hilbert space
In mathematics, a Hilbert space is a real number, real or complex number, complex inner product space that is also a complete metric space with respect to the metric induced by the inner product. It generalizes the notion of Euclidean space. The ...
and
an
unbounded (i.e. not necessarily bounded)
linear operator
In mathematics, and more specifically in linear algebra, a linear map (also called a linear mapping, linear transformation, vector space homomorphism, or in some contexts linear function) is a mapping V \to W between two vector spaces that pr ...
with a
dense domain This condition holds automatically when
is
finite-dimensional since
for every linear operator on a finite-dimensional space.
The
graph of an (arbitrary) operator
is the set
An operator
is said to extend
if
This is written as
Let the inner product
be
conjugate linear on the ''second'' argument. The
adjoint operator acts on the subspace
consisting of the elements
such that
:
The
densely defined operator
is called
symmetric (or Hermitian) if
, i.e., if
and
for all
. Equivalently,
is symmetric if and only if
:
Since
is dense in
, symmetric operators are always
closable (i.e. the closure of
is the graph of an operator). If
is a closed extension of
, the smallest closed extension
of
must be contained in
. Hence,
:
for symmetric operators and
:
for closed symmetric operators.
The densely defined operator
is called self-adjoint if
, that is, if and only if
is symmetric and
. Equivalently, a closed symmetric operator
is self-adjoint if and only if
is symmetric. If
is self-adjoint, then
is real for all
, i.e.,
:
A symmetric operator
is said to be essentially self-adjoint if the closure of
is self-adjoint. Equivalently,
is essentially self-adjoint if it has a ''unique'' self-adjoint extension. In practical terms, having an essentially self-adjoint operator is almost as good as having a self-adjoint operator, since we merely need to take the closure to obtain a self-adjoint operator.
In physics, the term Hermitian refers to symmetric as well as self-adjoint operators alike. The subtle difference between the two is generally overlooked.
Bounded self-adjoint operators
Let
be a
Hilbert space
In mathematics, a Hilbert space is a real number, real or complex number, complex inner product space that is also a complete metric space with respect to the metric induced by the inner product. It generalizes the notion of Euclidean space. The ...
and
a symmetric operator. According to
Hellinger–Toeplitz theorem, if
then
is necessarily bounded.
A
bounded operator is self-adjoint if
:
Every bounded operator
can be written in the
complex form
where
and
are bounded self-adjoint operators.
Alternatively, every
positive bounded linear operator is self-adjoint if the Hilbert space
is ''complex''.
Properties
A bounded self-adjoint operator
defined on
has the following properties:
*
is invertible if the
image
An image or picture is a visual representation. An image can be Two-dimensional space, two-dimensional, such as a drawing, painting, or photograph, or Three-dimensional space, three-dimensional, such as a carving or sculpture. Images may be di ...
of
is dense in
* The
operator norm is given by
* If
is an
eigenvalue of
then
; the eigenvalues are real and the corresponding
eigenvectors are orthogonal.
Bounded self-adjoint operators do not necessarily have an eigenvalue. If, however,
is a
compact self-adjoint operator then it always has an eigenvalue
and corresponding normalized eigenvector.
Spectrum of self-adjoint operators
Let
be an unbounded operator. The
resolvent set (or regular set) of
is defined as
:
If
is bounded, the definition reduces to
being
bijective on
. The
spectrum
A spectrum (: spectra or spectrums) is a set of related ideas, objects, or properties whose features overlap such that they blend to form a continuum. The word ''spectrum'' was first used scientifically in optics to describe the rainbow of co ...
of
is defined as the complement
:
In finite dimensions,
consists exclusively of (complex)
eigenvalues. The spectrum of a self-adjoint operator is always real (i.e.
), though non-self-adjoint operators with real spectrum exist as well. For bounded (
normal) operators, however, the spectrum is real ''if and only if'' the operator is self-adjoint. This implies, for example, that a non-self-adjoint operator with real spectrum is necessarily unbounded.
As a preliminary, define
and
with
. Then, for every
and every
:
where
Indeed, let
By the
Cauchy–Schwarz inequality
The Cauchy–Schwarz inequality (also called Cauchy–Bunyakovsky–Schwarz inequality) is an upper bound on the absolute value of the inner product between two vectors in an inner product space in terms of the product of the vector norms. It is ...
,
:
If
then
and
is called ''bounded below''.
Spectral theorem
In the physics literature, the spectral theorem is often stated by saying that a self-adjoint operator has an orthonormal basis of eigenvectors. Physicists are well aware, however, of the phenomenon of "continuous spectrum"; thus, when they speak of an "orthonormal basis" they mean either an orthonormal basis in the classic sense ''or'' some continuous analog thereof. In the case of the
momentum operator , for example, physicists would say that the eigenvectors are the functions
, which are clearly not in the Hilbert space
. (Physicists would say that the eigenvectors are "non-normalizable.") Physicists would then go on to say that these "generalized eigenvectors" form an "orthonormal basis in the continuous sense" for
, after replacing the usual
Kronecker delta by a
Dirac delta function .
Although these statements may seem disconcerting to mathematicians, they can be made rigorous by use of the Fourier transform, which allows a general
function to be expressed as a "superposition" (i.e., integral) of the functions
, even though these functions are not in
. The Fourier transform "diagonalizes" the momentum operator; that is, it converts it into the operator of multiplication by
, where
is the variable of the Fourier transform.
The spectral theorem in general can be expressed similarly as the possibility of "diagonalizing" an operator by showing it is unitarily equivalent to a multiplication operator. Other versions of the spectral theorem are similarly intended to capture the idea that a self-adjoint operator can have "eigenvectors" that are not actually in the Hilbert space in question.
Multiplication operator form of the spectral theorem
Firstly, let
be a
σ-finite measure space and
a
measurable function on
. Then the operator
, defined by
:
where
:
is called a
multiplication operator. Any multiplication operator is a self-adjoint operator.
Secondly, two operators
and
with dense domains
and
in Hilbert spaces
and
, respectively, are unitarily equivalent if and only if there is a
unitary transformation such that:
*
*
If unitarily equivalent
and
are bounded, then
; if
is self-adjoint, then so is
.
The spectral theorem holds for both bounded and unbounded self-adjoint operators. Proof of the latter follows by reduction to the spectral theorem for
unitary operators. We might note that if
is multiplication by
, then the spectrum of
is just the
essential range of
.
More complete versions of the spectral theorem exist as well that involve direct integrals and carry with it the notion of "generalized eigenvectors".
Functional calculus
One application of the spectral theorem is to define a
functional calculus. That is, if
is a function on the real line and
is a self-adjoint operator, we wish to define the operator
. The spectral theorem shows that if
is represented as the operator of multiplication by
, then
is the operator of multiplication by the composition
.
One example from quantum mechanics is the case where
is the
Hamiltonian operator . If
has a true orthonormal basis of eigenvectors
with eigenvalues
, then
can be defined as the unique bounded operator with eigenvalues
such that:
:
The goal of functional calculus is to extend this idea to the case where
has continuous spectrum (i.e. where
has no normalizable eigenvectors).
It has been customary to introduce the following notation
:
where
is the
indicator function
In mathematics, an indicator function or a characteristic function of a subset of a set is a function that maps elements of the subset to one, and all other elements to zero. That is, if is a subset of some set , then the indicator functio ...
of the interval
. The family of projection operators E(λ) is called
Borel functional calculus#Resolution of the identity, resolution of the identity for ''T''. Moreover, the following
Stieltjes integral representation for ''T'' can be proved:
:
Formulation in the physics literature
In quantum mechanics,
Dirac notation is used as combined expression for both the spectral theorem and the
Borel functional calculus. That is, if ''H'' is self-adjoint and ''f'' is a
Borel function,
:
with
:
where the integral runs over the whole spectrum of ''H''. The notation suggests that ''H'' is diagonalized by the eigenvectors Ψ
''E''. Such a notation is purely
formal. The resolution of the identity (sometimes called
projection-valued measures) formally resembles the rank-1 projections
. In the Dirac notation, (projective) measurements are described via
eigenvalues and
eigenstates, both purely formal objects. As one would expect, this does not survive passage to the resolution of the identity. In the latter formulation, measurements are described using the
spectral measure of
, if the system is prepared in
prior to the measurement. Alternatively, if one would like to preserve the notion of eigenstates and make it rigorous, rather than merely formal, one can replace the state space by a suitable
rigged Hilbert space.
If , the theorem is referred to as resolution of unity:
:
In the case
is the sum of an Hermitian ''H'' and a skew-Hermitian (see
skew-Hermitian matrix) operator
, one defines the
biorthogonal basis set
:
and write the spectral theorem as:
:
(See ''
Feshbach–Fano partitioning'' for the context where such operators appear in
scattering theory
In physics, scattering is a wide range of physical processes where moving particles or radiation of some form, such as light or sound, are forced to deviate from a straight trajectory by localized non-uniformities (including particles and radiat ...
).
Formulation for symmetric operators
The
spectral theorem
In linear algebra and functional analysis, a spectral theorem is a result about when a linear operator or matrix can be diagonalized (that is, represented as a diagonal matrix in some basis). This is extremely useful because computations involvin ...
applies only to self-adjoint operators, and not in general to symmetric operators. Nevertheless, we can at this point give a simple example of a symmetric (specifically, an essentially self-adjoint) operator that has an orthonormal basis of eigenvectors. Consider the complex Hilbert space ''L''
2 ,1and the
differential operator
:
with
consisting of all complex-valued infinitely
differentiable functions ''f'' on
, 1satisfying the boundary conditions
:
Then
integration by parts
In calculus, and more generally in mathematical analysis, integration by parts or partial integration is a process that finds the integral of a product of functions in terms of the integral of the product of their derivative and antiderivati ...
of the inner product shows that ''A'' is symmetric.
[The reader is invited to perform integration by parts twice and verify that the given boundary conditions for ensure that the boundary terms in the integration by parts vanish.] The eigenfunctions of ''A'' are the sinusoids
:
with the real eigenvalues ''n''
2π
2; the well-known orthogonality of the sine functions follows as a consequence of ''A'' being symmetric.
The operator ''A'' can be seen to have a
compact inverse, meaning that the corresponding differential equation ''Af'' = ''g'' is solved by some integral (and therefore compact) operator ''G''. The compact symmetric operator ''G'' then has a countable family of eigenvectors which are complete in . The same can then be said for ''A''.
Pure point spectrum
A self-adjoint operator ''A'' on ''H'' has pure
point spectrum if and only if ''H'' has an orthonormal basis
''i'' ∈ I consisting of eigenvectors for ''A''.
Example. The Hamiltonian for the harmonic oscillator has a quadratic potential ''V'', that is
:
This Hamiltonian has pure point spectrum; this is typical for bound state
Hamiltonians in quantum mechanics. As was pointed out in a previous example, a sufficient condition that an unbounded symmetric operator has eigenvectors which form a Hilbert space basis is that it has a compact inverse.
Symmetric vs self-adjoint operators
Although the distinction between a symmetric operator and a (essentially) self-adjoint operator is subtle, it is important since self-adjointness is the hypothesis in the spectral theorem. Here we discuss some concrete examples of the distinction.
Boundary conditions
In the case where the Hilbert space is a space of functions on a bounded domain, these distinctions have to do with a familiar issue in quantum physics: One cannot define an operator—such as the momentum or Hamiltonian operator—on a bounded domain without specifying ''boundary conditions''. In mathematical terms, choosing the boundary conditions amounts to choosing an appropriate domain for the operator. Consider, for example, the Hilbert space
(the space of square-integrable functions on the interval
,1. Let us define a momentum operator ''A'' on this space by the usual formula, setting the Planck constant to 1:
:
We must now specify a domain for ''A'', which amounts to choosing boundary conditions. If we choose
:
then ''A'' is not symmetric (because the boundary terms in the integration by parts do not vanish).
If we choose
:
then using integration by parts, one can easily verify that ''A'' is symmetric. This operator is not essentially self-adjoint, however, basically because we have specified too many boundary conditions on the domain of ''A'', which makes the domain of the adjoint too big (see also the
example
Example may refer to:
* ''exempli gratia'' (e.g.), usually read out in English as "for example"
* .example, reserved as a domain name that may not be installed as a top-level domain of the Internet
** example.com, example.net, example.org, an ...
below).
Specifically, with the above choice of domain for ''A'', the domain of the closure
of ''A'' is
:
whereas the domain of the adjoint
of ''A'' is
:
That is to say, the domain of the closure has the same boundary conditions as the domain of ''A'' itself, just a less stringent smoothness assumption. Meanwhile, since there are "too many" boundary conditions on ''A'', there are "too few" (actually, none at all in this case) for
. If we compute
for
using integration by parts, then since
vanishes at both ends of the interval, no boundary conditions on
are needed to cancel out the boundary terms in the integration by parts. Thus, any sufficiently smooth function
is in the domain of
, with
.
Since the domain of the closure and the domain of the adjoint do not agree, ''A'' is not essentially self-adjoint. After all, a general result says that the domain of the adjoint of
is the same as the domain of the adjoint of ''A''. Thus, in this case, the domain of the adjoint of
is bigger than the domain of
itself, showing that
is not self-adjoint, which by definition means that ''A'' is not essentially self-adjoint.
The problem with the preceding example is that we imposed too many boundary conditions on the domain of ''A''. A better choice of domain would be to use periodic boundary conditions:
:
With this domain, ''A'' is essentially self-adjoint.
In this case, we can understand the implications of the domain issues for the spectral theorem. If we use the first choice of domain (with no boundary conditions), all functions
for
are eigenvectors, with eigenvalues
, and so the spectrum is the whole complex plane. If we use the second choice of domain (with Dirichlet boundary conditions), ''A'' has no eigenvectors at all. If we use the third choice of domain (with periodic boundary conditions), we can find an orthonormal basis of eigenvectors for ''A'', the functions
. Thus, in this case finding a domain such that ''A'' is self-adjoint is a compromise: the domain has to be small enough so that ''A'' is symmetric, but large enough so that
.
Schrödinger operators with singular potentials
A more subtle example of the distinction between symmetric and (essentially) self-adjoint operators comes from
Schrödinger operators in quantum mechanics. If the potential energy is singular—particularly if the potential is unbounded below—the associated Schrödinger operator may fail to be essentially self-adjoint. In one dimension, for example, the operator
:
is not essentially self-adjoint on the space of smooth, rapidly decaying functions. In this case, the failure of essential self-adjointness reflects a pathology in the underlying classical system: A classical particle with a
potential escapes to infinity in finite time. This operator does not have a ''unique'' self-adjoint, but it does admit self-adjoint extensions obtained by specifying "boundary conditions at infinity". (Since
is a real operator, it commutes with complex conjugation. Thus, the deficiency indices are automatically equal, which is the condition for having a self-adjoint extension.)
In this case, if we initially define
on the space of smooth, rapidly decaying functions, the adjoint will be "the same" operator (i.e., given by the same formula) but on the largest possible domain, namely
:
It is then possible to show that
is not a symmetric operator, which certainly implies that
is not essentially self-adjoint. Indeed,
has eigenvectors with pure imaginary eigenvalues, which is impossible for a symmetric operator. This strange occurrence is possible because of a cancellation between the two terms in
: There are functions
in the domain of
for which neither
nor
is separately in
, but the combination of them occurring in
is in
. This allows for
to be nonsymmetric, even though both
and
are symmetric operators. This sort of cancellation does not occur if we replace the repelling potential
with the confining potential
.
Non-self-adjoint operators in quantum mechanics
In quantum mechanics, observables correspond to self-adjoint operators. By
Stone's theorem on one-parameter unitary groups, self-adjoint operators are precisely the infinitesimal generators of unitary groups of
time evolution operators. However, many physical problems are formulated as a time-evolution equation involving differential operators for which the Hamiltonian is only symmetric. In such cases, either the Hamiltonian is essentially self-adjoint, in which case the physical problem has unique solutions or one attempts to find self-adjoint extensions of the Hamiltonian corresponding to different types of boundary conditions or conditions at infinity.
Example. The one-dimensional Schrödinger operator with the potential
, defined initially on smooth compactly supported functions, is essentially self-adjoint for but not for .
The failure of essential self-adjointness for
has a counterpart in the classical dynamics of a particle with potential
: The classical particle escapes to infinity in finite time.
Example. There is no self-adjoint momentum operator
for a particle moving on a half-line. Nevertheless, the Hamiltonian
of a "free" particle on a half-line has several self-adjoint extensions corresponding to different types of boundary conditions. Physically, these boundary conditions are related to reflections of the particle at the origin.
Examples
A symmetric operator that is not essentially self-adjoint
We first consider the Hilbert space